SCHEMBL3597678

SCHEMBL3597678

COc1cc(C(=O)O)ccc1S(=O)(=O)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.37
LTB4R Q15722 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CCR5 P51681 1/20 0.36
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
DRD4 P21917 1/20 0.34
KCNJ1 P48048 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3579171 0.92 MAPK1 (0.39) CCR5MAPK1ALDH1A1SIGMAR1KCNJ1
SCHEMBL3588822 0.91 BCHE (0.36) PLA2G4ACCR5MAPK1ACHEALDH1A1
SCHEMBL3596271 0.90 ACHE (0.38) ACHE
SCHEMBL3596275 0.90 ACHE (0.38) ACHE
SCHEMBL3603278 0.88 BCHE (0.35) CCR5MAPK1ACHEPOLBALDH1A1
SCHEMBL3587526 0.88 CCR5 (0.39) PLA2G4ALTB4RCYSLTR2CYSLTR1CCR5
SCHEMBL3587529 0.88 PLA2G4A (0.43) PLA2G4ALTB4RCYSLTR2CYSLTR1ACHE
SCHEMBL13254233 0.87 ACHE (0.36) MAPK1ACHEALDH1A1LMNAHPGD
SCHEMBL3595997 0.86 HTR2A (0.45) MAPK1ACHESIGMAR1MAPTRAB9A
SCHEMBL3591945 0.86 CCR5 (0.38) PLA2G4ALTB4RCCR5MAPK1ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 PLA2G4A 2410/4885LTB4R 218/4885CYSLTR2 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.